4-(cyclohexa-1,5-dien-1-ylmethyl)morpholin-3-one

C11H15NO2 — CID 177141152

IUPAC4-(cyclohexa-1,5-dien-1-ylmethyl)morpholin-3-one
SMILESO=C1COCCN1CC1=CCCC=C1
InChIInChI=1S/C11H15NO2/c13-11-9-14-7-6-12(11)8-10-4-2-1-3-5-10/h2,4-5H,1,3,6-9H2
InChIKeyNLCBHYCEVJPLCI-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.12
Rot. Bonds2

About 4-(cyclohexa-1,5-dien-1-ylmethyl)morpholin-3-one

4-(cyclohexa-1,5-dien-1-ylmethyl)morpholin-3-one (PubChem CID 177141152) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(cyclohexa-1,5-dien-1-ylmethyl)morpholin-3-one.

Molecular Properties

Compound Name4-(cyclohexa-1,5-dien-1-ylmethyl)morpholin-3-one
PubChem CID177141152
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-(cyclohexa-1,5-dien-1-ylmethyl)morpholin-3-one
SMILESO=C1COCCN1CC1=CCCC=C1
InChIInChI=1S/C11H15NO2/c13-11-9-14-7-6-12(11)8-10-4-2-1-3-5-10/h2,4-5H,1,3,6-9H2
InChIKeyNLCBHYCEVJPLCI-UHFFFAOYSA-N
XLogP1.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(aminomethyl)phenyl]methyl]morpholin-3-one
CID 79468522
[4-[(3-oxomorpholin-4-yl)methyl]phenyl]boronic acid
CID 155710289
2-(3-oxomorpholin-4-yl)ethanolate
CID 142382646
4-(3-methylbutyl)morpholin-3-one
CID 58222536
4-[(3-aminophenyl)methyl]morpholin-3-one
CID 79468791
4-(2,2-dimethylpropyl)morpholin-3-one
CID 59172197
4-[[3-(aminomethyl)-2-fluorophenyl]methyl]morpholin-3-one
CID 107113912
4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]morpholin-3-one
CID 80611448
4-[(4-amino-2-chlorophenyl)methyl]morpholin-3-one
CID 79469209
4-[(2-amino-6-chlorophenyl)methyl]morpholin-3-one
CID 79468371
4-[(4-amino-2-bromophenyl)methyl]morpholin-3-one
CID 79469480
4-[(2-amino-6-fluorophenyl)methyl]morpholin-3-one
CID 79467850

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexa-1,5-dien-1-ylmethyl)morpholin-3-one?
The IUPAC name of 4-(cyclohexa-1,5-dien-1-ylmethyl)morpholin-3-one (CID 177141152) is 4-(cyclohexa-1,5-dien-1-ylmethyl)morpholin-3-one.
What is the SMILES notation for 4-(cyclohexa-1,5-dien-1-ylmethyl)morpholin-3-one?
The canonical SMILES for 4-(cyclohexa-1,5-dien-1-ylmethyl)morpholin-3-one is O=C1COCCN1CC1=CCCC=C1.
What is the InChIKey of 4-(cyclohexa-1,5-dien-1-ylmethyl)morpholin-3-one?
The InChIKey is NLCBHYCEVJPLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-11-9-14-7-6-12(11)8-10-4-2-1-3-5-10/h2,4-5H,1,3,6-9H2.
What are the key properties of 4-(cyclohexa-1,5-dien-1-ylmethyl)morpholin-3-one?
4-(cyclohexa-1,5-dien-1-ylmethyl)morpholin-3-one has a molecular weight of 193.25 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexa-1,5-dien-1-ylmethyl)morpholin-3-one is sourced from PubChem (CID 177141152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).